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ENAMINE-ZINC04183524

 MMsINC code: MMs01532528
Type: Neutral
Formula: C12H13F4NO2S
SMILES:   S(=O)(=O)(N1CC(CCC1)C(F)(F)F)c1ccc(F)cc1
InChI:   InChI=1/C12H13F4NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=23.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.299 g/mol  logS: -3.30512  SlogP: 3.2086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246594  Sterimol/B1: 2.82712  Sterimol/B2: 3.5094  Sterimol/B3: 4.83653
  Sterimol/B4: 5.87548  Sterimol/L: 11.9325 
 
 Surface and Volume Properties
  Accessible surface: 453.256  Positive charged surface: 205.654  Negative charged surface: 247.601  Volume: 240.25
  Hydrophobic surface: 300.306  Hydrophilic surface: 152.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.